N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine

C16H23F2NO2 — CID 105408569

IUPACN-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cc(F)cc(F)c2)CCOC1C
InChIInChI=1S/C16H23F2NO2/c1-12-16(3-5-21-12,11-19-4-6-20-2)10-13-7-14(17)9-15(18)8-13/h7-9,12,19H,3-6,10-11H2,1-2H3
InChIKeyLTDOSGZMGXDYCK-UHFFFAOYSA-N
MW299.36 g/mol
LogP2.54
Rot. Bonds7

About N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine

N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 105408569) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID105408569
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC NameN-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(Cc2cc(F)cc(F)c2)CCOC1C
InChIInChI=1S/C16H23F2NO2/c1-12-16(3-5-21-12,11-19-4-6-20-2)10-13-7-14(17)9-15(18)8-13/h7-9,12,19H,3-6,10-11H2,1-2H3
InChIKeyLTDOSGZMGXDYCK-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[(4-fluoro-2-methylphenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535253
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methylpropan-2-amine
CID 105408565
N-[[3-[(2-chloro-6-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535272
N-[[3-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine
CID 114535212
N-[(3-butyl-2-methyloxolan-3-yl)methyl]-2-methoxyethanamine
CID 114535216
2-methoxy-N-[[3-(2-methoxypropyl)-2-methyloxolan-3-yl]methyl]ethanamine
CID 114535299
N-[[1-(3,5-difluorophenyl)cyclopropyl]methyl]-2-methoxyethanamine
CID 62595001
N-[[3-[(4-chloro-3-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 107897618
N-[[3-[(2,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534580
N-[[3-[(2,6-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114933906
N-[[3-[(2-fluoro-3-methoxyphenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-1-amine
CID 114534573
N-[[3-[(4-fluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]propan-2-amine
CID 114534661

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine (CID 105408569) is N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1(Cc2cc(F)cc(F)c2)CCOC1C.
What is the InChIKey of N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is LTDOSGZMGXDYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-12-16(3-5-21-12,11-19-4-6-20-2)10-13-7-14(17)9-15(18)8-13/h7-9,12,19H,3-6,10-11H2,1-2H3.
What are the key properties of N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 299.36 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(3,5-difluorophenyl)methyl]-2-methyloxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 105408569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).